SCHEMBL6879934

SCHEMBL6879934

COC(=O)n1c([S+]([O-])Cc2ccccn2)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 5/20 0.38
HTT P42858 3/20 0.38
HSD17B10 Q99714 3/20 0.38
TP53 P04637 1/20 0.38
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2B P29275 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
BRD4 O60885 1/20 0.37
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
CTSD P07339 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6880023 0.88 ALDH1A1 (0.40) L3MBTL1ALDH1A1KDM4EHTTHSD17B10
SCHEMBL6877253 0.87 CYP1A2 (0.41) L3MBTL1ALDH1A1KDM4EHTTHSD17B10
SCHEMBL6881070 0.85 ADORA2A (0.39) L3MBTL1ALDH1A1KDM4EHTTHSD17B10
SCHEMBL10921812 0.79 KDM4E (0.43) L3MBTL1ALDH1A1KDM4EHTTHSD17B10
SCHEMBL6878496 0.79 BRD4 (0.44) L3MBTL1ALDH1A1KDM4EHTTHSD17B10
SCHEMBL6872965 0.78 SMN1; SMN2 (0.44) ALDH1A1KDM4EHTTLMNAALOX15
SCHEMBL10921813 0.78 L3MBTL1 (0.44) L3MBTL1ALDH1A1KDM4EHTTHSD17B10
SCHEMBL6884552 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EHTTHSD17B10TP53
SCHEMBL10921080 0.77 ALDH1A1 (0.41) L3MBTL1ALDH1A1KDM4EHTTHSD17B10
SCHEMBL6879349 0.77 KDM4E (0.61) ALDH1A1KDM4EHTTHSD17B10HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0045200-B1 BENZIMIDAZOLES AND THEIR PHARMACEUTICAL USE THE UPJOHN COMPANY (US) 1988-03-02 EP claimed
US-4359465-A HETEROCYCLIC ALKYLSULFINYL BENZIMIDAZOLES THE UPJOHN COMPANY (US) 1982-11-16 US claimed
EP-0045200-A1 Benzimidazoles and their pharmaceutical use THE UPJOHN COMPANY (US) 1982-02-03 EP claimed
US-4045563-A Substituted 2-[pyridylalkylenesulfinyl]-benzimidazoles with gastric acid secretion inhibiting effects AB HASSLE (SW) 1977-08-30 US claimed
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis ATOPIX THERAPEUTICS LTD (GB) 2014-11-06 US disclosed
EP-2790696-A1 COMBINATION OF CRTH2 ANTAGONIST AND A PROTON PUMP INHIBITOR FOR THE TREATMENT OF EOSINOPHILIC ESOPHAGITIS Atopix Therapeutics Limited (GB) 2014-10-22 EP disclosed
WO-2013088109-A1 COMBINATION OF CRTH2 ANTAGONIST AND A PROTON PUMP INHIBITOR FOR THE TREATMENT OF EOSINOPHILIC ESOPHAGITIS OXAGEN LIMITED (GB) 2013-06-20 WO disclosed
US-20040258621-A1 Method of treating snoring and other obstructive breathing disorders SOHNSTEARNS & STERN 2004-12-23 US disclosed
EP-0045200-B1 BENZIMIDAZOLES AND THEIR PHARMACEUTICAL USE THE UPJOHN COMPANY (US) 1988-03-02 EP disclosed
US-4359465-A HETEROCYCLIC ALKYLSULFINYL BENZIMIDAZOLES THE UPJOHN COMPANY (US) 1982-11-16 US disclosed
EP-0045200-A1 Benzimidazoles and their pharmaceutical use THE UPJOHN COMPANY (US) 1982-02-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040258621-A1 Method of treating snoring and other obstructive breathing disorders HRH2, HRH1, HRH4 L3MBTL1 2130/4885ALDH1A1 998/4885KDM4E 3685/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 L3MBTL1 4784/4885ALDH1A1 3414/4885KDM4E 3580/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.